1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene

C18H8F6 — CID 123622255

IUPAC1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
SMILESFc1ccc(-c2ccccc2-c2ccc(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H8F6/c19-13-7-5-11(15(21)17(13)23)9-3-1-2-4-10(9)12-6-8-14(20)18(24)16(12)22/h1-8H
InChIKeyTVENWOMVCKZNDN-UHFFFAOYSA-N
MW338.25 g/mol
LogP5.86
Rot. Bonds2

About 1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene

1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene (PubChem CID 123622255) has the molecular formula C18H8F6 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
PubChem CID123622255
Molecular FormulaC18H8F6
Molecular Weight338.25 g/mol
Exact Mass338.05
IUPAC Name1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
SMILESFc1ccc(-c2ccccc2-c2ccc(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H8F6/c19-13-7-5-11(15(21)17(13)23)9-3-1-2-4-10(9)12-6-8-14(20)18(24)16(12)22/h1-8H
InChIKeyTVENWOMVCKZNDN-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.25
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene?
The IUPAC name of 1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene (CID 123622255) is 1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene is Fc1ccc(-c2ccccc2-c2ccc(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene?
The InChIKey is TVENWOMVCKZNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F6/c19-13-7-5-11(15(21)17(13)23)9-3-1-2-4-10(9)12-6-8-14(20)18(24)16(12)22/h1-8H.
What are the key properties of 1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene?
1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene has a molecular weight of 338.25 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene is sourced from PubChem (CID 123622255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).